D-GLUCOHEPTONO-1,4-LACTONE(79703-26-7) IR1

Product NameD-GLUCOHEPTONO-1,4-LACTONE

CAS 79703-26-7

Molecular FormulaC7H12O7

Molecular Weight208.17

InChIInChI=1/C7H12O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-6,8-12H,1H2/t2-,3+,4+,5-,6-/s3

InChIKey VIVCRCODGMFTFY-HTWHPAKYNA-N

SmilesC1(O[C@H]([C@H]([C@@H](CO)O)O)[C@@H](O)[C@H]1O)=O |&1:2,3,4,9,11,r|

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¹³CNMR

IR1

IR2

Mass

MS-NW-7362          
D-glucoheptono-1,4-lactone
C7H12O7             (Mass of molecular ion:    208)

   Source Temperature: 170 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0       6.2
      18.0       2.5
      19.0       7.3
      26.0       1.0
      27.0       6.6
      28.0       2.4
      29.0      14.6
      30.0       3.4
      31.0      19.8
      39.0       3.3
      41.0       4.8
      42.0       8.7
      43.0      27.4
      44.0      11.0
      45.0      12.0
      47.0       1.4
      54.0       1.6
      55.0       6.2
      56.0       5.3
      57.0      12.5
      58.0       3.9
      59.0       2.1
      60.0      18.7
      61.0      32.6
      62.0       1.1
      69.0       5.1
      70.0       1.2
      71.0      17.6
      72.0       7.6
      73.0     100.0
      74.0       8.0
      76.0       7.5
      83.0       2.1
      84.0       1.3
      85.0       9.3
      86.0       3.5
      87.0       1.3
      89.0       2.6
      91.0       7.8
      97.0       3.6
      98.0       1.1
      99.0       1.3
     100.0       5.3
     101.0       1.9
     102.0       1.4
     103.0       3.6
     113.0       1.1
     114.0       2.0
     115.0       3.4
     119.0       2.8
     131.0       4.0
     133.0       1.8
     142.0       2.2
     147.0       2.4
     148.0       2.2
     159.0       5.7
     160.0       1.3
     190.0       1.7

in D2O

KBr disc

nujol mull

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